trans-β-Hydromuconic acid

Product Information

Molecular Formula:
C6H8O4
Molecular Weight:
144.13
Description
trans-β-Hydromuconic acid (CAS# 4436-74-2) is used as a starting material in the synthesis of Adipic Acid (A291590) which is primarily used in the synthesis of nylon.
Synonyms
(E)-hex-3-enedioic acid
IUPAC Name
(E)-hex-3-enedioic acid
Canonical SMILES
C(C=CCC(=O)O)C(=O)O
InChI
InChI=1S/C6H8O4/c7-5(8)3-1-2-4-6(9)10/h1-2H,3-4H2,(H,7,8)(H,9,10)/b2-1+
InChI Key
YHGNXQAFNHCBTK-OWOJBTEDSA-N
Boiling Point
368.7 °C at 760 mmHg
Melting Point
195-196 °C (lit.)
Purity
95 %
Density
1.305 g/cm3
Solubility
17 mg/mL
Appearance
White to almost white powder to crystal
LogP
0.49200

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning

Computed Properties

XLogP3
-0.1
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
144.04225873 g/mol
Monoisotopic Mass
144.04225873 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
141
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113756088-A Negative ion fabric and preparation method thereof 2021-09-03
JP-2022041899-A Resin composition, resin film and display device 2020-08-31
JP-2022041900-A Laminates and display devices 2020-08-31
JP-2022041901-A Laminates and display devices 2020-08-31
WO-2022044822-A1 Resin composition, resin film, and display device 2020-08-31
WO-2022044823-A1 Layered body and display device 2020-08-31
WO-2022044824-A1 Layered body and display device 2020-08-31
US-2022064107-A1 Photoresponsive compound, adhesive, switching material, and toner containing the photoresponsive compound, and image forming method using the toner 2020-08-28
US-2022066345-A1 Photoresponsive polymer, photoresponsive adhesive, toner, and image forming method 2020-08-28
WO-2022045224-A1 Novel nucleic acid molecule inhibiting expression of target gene 2020-08-25

Literatures

PMID Publication Date Title Journal
30086327 2018-12-01 Biological monitoring of low level exposure to benzene in an oil refinery: Effect of modulating factors Toxicology letters
22846771 2012-10-01 Urinary trans, trans-muconic acid and S-phenylmercapturic acid are indicative of exposure to urban benzene pollution during childhood The Science of the total environment
23077793 2012-09-01 Association between environmental exposure to benzene and oxidative damage to nucleic acids in children La Medicina del lavoro
23077794 2012-09-01 Biological monitoring of low-level exposure to benzene La Medicina del lavoro
21300142 2012-08-13 Low occupational exposure to benzene in a petrochemical plant: modulating effect of genetic polymorphisms and smoking habit on the urinary t,t-MA/SPMA ratio Toxicology letters
22173199 2012-08-13 Influence of glutathione S-transferases polymorphisms on biological monitoring of exposure to low doses of benzene Toxicology letters
22479697 2012-05-21 Molecularly imprinted solid-phase extraction and high-performance liquid chromatography with ultraviolet detection for the determination of urinary trans,trans-muconic acid: a comparison with ionic exchange extraction The Analyst
22297198 2012-05-01 Assessment of occupational exposure to benzene, toluene and xylenes in urban and rural female workers Chemosphere
22555192 2012-05-01 Environmental and biological monitoring of benzene in traffic policemen, police drivers and rural outdoor male workers Journal of environmental monitoring : JEM
21671104 2012-04-01 Evaluation of exposure biomarkers in offshore workers exposed to low benzene and toluene concentrations International archives of occupational and environmental health
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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